HRID831290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID4327891

Pentafluorophenyl trifluoroacetate

C8F8O2

HCID11580925

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(Nc2ccc(Br)cc2F)cc1=O

HCID58962849

2,3,4,5,6-Pentafluorophenyl 4-(4-bromo-2-fluoroanilino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylate

C19H9BrF6N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ed93ffee23b4cd989e443d1fcc7c2b7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:20])[c:5]([NH:6][c:7]2[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH3:14])[c:11](=[O:13])[cH:12]2)[cH:18][cH:19]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[F:21][C:22]([F:23])([F:24])[C:25]([O:37][c:26]1[c:27]([F:36])[c:28]([F:35])[c:29]([F:34])[c:30]([F:33])[c:31]1[F:32])=[O:38].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[Br:1][c:2]1[cH:3][c:4]([F:20])[c:5]([NH:6][c:7]2[c:8]([C:15](=[O:16])[O:17][c:26]3[c:27]([F:36])[c:28]([F:35])[c:29]([F:34])[c:30]([F:33])[c:31]3[F:32])[cH:9][n:10]([CH3:14])[c:11](=[O:13])[cH:12]2)[cH:18][cH:19]1